4-[3-(methylamino)piperidin-1-yl]-N-(3-methylphenyl)butanamide

C17H27N3O — CID 62546343

IUPAC4-[3-(methylamino)piperidin-1-yl]-N-(3-methylphenyl)butanamide
SMILESCNC1CCCN(CCCC(=O)Nc2cccc(C)c2)C1
InChIInChI=1S/C17H27N3O/c1-14-6-3-7-15(12-14)19-17(21)9-5-11-20-10-4-8-16(13-20)18-2/h3,6-7,12,16,18H,4-5,8-11,13H2,1-2H3,(H,19,21)
InChIKeyRGMVYNJTTLAMDZ-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.40
Rot. Bonds6

About 4-[3-(methylamino)piperidin-1-yl]-N-(3-methylphenyl)butanamide

4-[3-(methylamino)piperidin-1-yl]-N-(3-methylphenyl)butanamide (PubChem CID 62546343) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-[3-(methylamino)piperidin-1-yl]-N-(3-methylphenyl)butanamide.

Molecular Properties

Compound Name4-[3-(methylamino)piperidin-1-yl]-N-(3-methylphenyl)butanamide
PubChem CID62546343
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name4-[3-(methylamino)piperidin-1-yl]-N-(3-methylphenyl)butanamide
SMILESCNC1CCCN(CCCC(=O)Nc2cccc(C)c2)C1
InChIInChI=1S/C17H27N3O/c1-14-6-3-7-15(12-14)19-17(21)9-5-11-20-10-4-8-16(13-20)18-2/h3,6-7,12,16,18H,4-5,8-11,13H2,1-2H3,(H,19,21)
InChIKeyRGMVYNJTTLAMDZ-UHFFFAOYSA-N
XLogP2.40
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-hydroxy-3-methylpiperidin-1-yl)-N-(3-methylphenyl)butanamide
CID 114681479
4-(3-hydroxy-4-methylpiperidin-1-yl)-N-(3-methylphenyl)butanamide
CID 102959899
N-(3-methylphenyl)-3-[(3R)-3-methylpiperidin-1-yl]propanamide
CID 739962
N-(3-methylphenyl)-3-(3-methylpiperidin-1-yl)propanamide;hydrochloride
CID 24747038
ethyl (3S)-1-[3-(3-methylanilino)-3-oxopropyl]piperidine-3-carboxylate
CID 739964
3-[3-(methylamino)piperidin-1-yl]-N-(3-sulfamoylphenyl)propanamide;hydrochloride
CID 119919395
2-[3-(methanesulfonamido)piperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 86982166
N-(3-aminophenyl)-4-(3-ethylpiperidin-1-yl)butanamide
CID 43584150
ethane;N-(3-methylphenyl)-3-piperidin-1-ylpropanamide
CID 143383579
N-(3-chlorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62545829
2-[(3R)-3-hydroxypiperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 129367068
N-(3-iodophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919334

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methylamino)piperidin-1-yl]-N-(3-methylphenyl)butanamide?
The IUPAC name of 4-[3-(methylamino)piperidin-1-yl]-N-(3-methylphenyl)butanamide (CID 62546343) is 4-[3-(methylamino)piperidin-1-yl]-N-(3-methylphenyl)butanamide.
What is the SMILES notation for 4-[3-(methylamino)piperidin-1-yl]-N-(3-methylphenyl)butanamide?
The canonical SMILES for 4-[3-(methylamino)piperidin-1-yl]-N-(3-methylphenyl)butanamide is CNC1CCCN(CCCC(=O)Nc2cccc(C)c2)C1.
What is the InChIKey of 4-[3-(methylamino)piperidin-1-yl]-N-(3-methylphenyl)butanamide?
The InChIKey is RGMVYNJTTLAMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14-6-3-7-15(12-14)19-17(21)9-5-11-20-10-4-8-16(13-20)18-2/h3,6-7,12,16,18H,4-5,8-11,13H2,1-2H3,(H,19,21).
What are the key properties of 4-[3-(methylamino)piperidin-1-yl]-N-(3-methylphenyl)butanamide?
4-[3-(methylamino)piperidin-1-yl]-N-(3-methylphenyl)butanamide has a molecular weight of 289.42 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methylamino)piperidin-1-yl]-N-(3-methylphenyl)butanamide is sourced from PubChem (CID 62546343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).